1-[4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butyl]urea

Systemtic Name: 1-[4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butyl]urea Openeye Name: 4-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]butylurea CAS Name: 4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]butylurea IUPAC Name: 4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butylurea Traditional Name: 4-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)piperidino]butylurea Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CCCCNC(=O)N)C3=C(C=CC=N3)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CCCCNC(=O)N)C3=C(C=CC=N3)C

InChI

InChI=1S/C22H31N5O/c1-16-8-6-13-24-20(16)18-10-5-11-19(21-17(2)9-7-14-25-21)27(18)15-4-3-12-26-22(23)28/h6-9,13-14,18-19H,3-5,10-12,15H2,1-2H3,(H3,23,26,28)/t18-,19+